tert-butyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl 3-[5-(azepan-1-ylmethyl)-2-thienyl]-2-(benzyloxycarbonylamino)propanoate CAS Name: 3-[5-(1-azepanylmethyl)-2-thiophenyl]-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-[5-(azepan-1-ylmethyl)-2-thienyl]-2-(benzyloxycarbonylamino)propionic acid tert-butyl ester Formula: C26H36N2O4S MolecularWeight: 472.64004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(S1)CN2CCCCCC2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(S1)CN2CCCCCC2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H36N2O4S/c1-26(2,3)32-24(29)23(27-25(30)31-19-20-11-7-6-8-12-20)17-21-13-14-22(33-21)18-28-15-9-4-5-10-16-28/h6-8,11-14,23H,4-5,9-10,15-19H2,1-3H3,(H,27,30)